Sugi Predict

Sugi Predict / Compounds / SCHEMBL1696203

SCHEMBL1696203

SCHEMBL1696203

Cc1nc(Nc2nc3ccc(-c4cccc(C(=O)Nc5cccc(C(F)(F)F)c5)c4)nc3s2)cc(N2CCN(CCO)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 4/20 0.51
▸ ABL1 P00519 9/20 0.49
▸ BRAF P15056 6/20 0.49
▸ FLT3 P36888 5/20 0.49
▸ KIT P10721 5/20 0.49
▸ RET P07949 3/20 0.49
▸ DDR1 Q08345 3/20 0.49
▸ STK10 O94804 2/20 0.49
▸ PDGFRA P16234 2/20 0.49
▸ FLT1 P17948 2/20 0.49
▸ KDR P35968 2/20 0.49
▸ MAPK12 P53778 2/20 0.49
▸ CDK11B P21127 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ FLT4 P35916 1/20 0.49
▸ CDK7 P50613 1/20 0.49
▸ CDK3 Q00526 1/20 0.49
▸ CDK5 Q00535 1/20 0.49
▸ TEK Q02763 1/20 0.49
▸ HIPK1 Q86Z02 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1279228 0.89 MEN1 (0.56) SRCABL1BRAFFLT3KIT
SCHEMBL30944822 0.82 ABL1 (0.65) SRCABL1BRAFFLT3KIT
SCHEMBL1696449 0.80 FLT3 (0.52) SRCABL1BRAFFLT3KIT
SCHEMBL1704413 0.79 ABL1 (0.64) SRCABL1BRAFFLT3KIT
SCHEMBL12978512 0.79 KDR (0.43) ABL1BRAFFLT3KITRET
SCHEMBL1696382 0.78 KDR (0.55) SRCABL1BRAFFLT3KIT
SCHEMBL30197903 0.78 ABL1 (0.65) SRCABL1BRAFFLT3KIT
SCHEMBL1704785 0.78 ABL1 (0.65) SRCABL1BRAFFLT3KIT
SCHEMBL29381575 0.78 ABL1 (0.65) SRCABL1BRAFFLT3KIT
SCHEMBL1696212 0.77 IRAK4 (0.64) ABL1BRAFFLT3KITRET

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505784-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-29 — — US disclosed
US-9505784-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-29 — — US disclosed
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-02 — — US disclosed
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-02 — — US disclosed
US-8765747-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-07-01 — — US disclosed
US-8765747-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-07-01 — — US disclosed
US-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-12 — — US disclosed
US-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-12 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES OAT, OTC, DLD SRC 1644/4885ABL1 1023/4885BRAF 2235/4885
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS GOT2, OAT, ABAT SRC 881/4885ABL1 318/4885BRAF 3361/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.